5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide

C18H22N2O3 — CID 90901292

IUPAC5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1C(=O)NC(Cc2ccccc2)C1=O
InChIInChI=1S/C18H22N2O3/c21-16-14(11-12-7-3-1-4-8-12)20-18(23)15(16)17(22)19-13-9-5-2-6-10-13/h1,3-4,7-8,13-15H,2,5-6,9-11H2,(H,19,22)(H,20,23)
InChIKeyIOASPSILFUOODX-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.36
Rot. Bonds4

About 5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide

5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide (PubChem CID 90901292) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide
PubChem CID90901292
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1C(=O)NC(Cc2ccccc2)C1=O
InChIInChI=1S/C18H22N2O3/c21-16-14(11-12-7-3-1-4-8-12)20-18(23)15(16)17(22)19-13-9-5-2-6-10-13/h1,3-4,7-8,13-15H,2,5-6,9-11H2,(H,19,22)(H,20,23)
InChIKeyIOASPSILFUOODX-UHFFFAOYSA-N
XLogP1.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide
CID 71162206
1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide
CID 18338631
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
5-benzyl-2,4-dioxo-N-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 90718416
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810389
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
2-(4-benzylpiperidine-1-carbonyl)-N-cycloheptylcyclopropane-1-carboxamide
CID 109139698
1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522623
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
2-(2-benzylcyclopropyl)-1-cyclohexylguanidine
CID 119148315
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide?
The IUPAC name of 5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide (CID 90901292) is 5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for 5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide is O=C(NC1CCCCC1)C1C(=O)NC(Cc2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide?
The InChIKey is IOASPSILFUOODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16-14(11-12-7-3-1-4-8-12)20-18(23)15(16)17(22)19-13-9-5-2-6-10-13/h1,3-4,7-8,13-15H,2,5-6,9-11H2,(H,19,22)(H,20,23).
What are the key properties of 5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide?
5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90901292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).